COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK019185
Chemical Name: N-[(1Z)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Smiles: Brc1ccc(cc1)/C=C(/C(=O)N1CCCCCC1)\NC(=O)c1cccs1

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Molecular Weight: 433.37
Empirical Formula: C20H21BrN2O2S

Physical State: Dry powder
Available Amount: 461 mg

Lipinsky:
logP: 4.061
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 77
Number of rings: 3

     

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